Basic information
- CAS
339526-05-5- Standard SMILES
O=C(Nc1ccc(S(=O)(=O)O)c2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c12)c1cccc([N+](=O)[O-])c1- InChIKey
REIQTUMOJLZAOH-UHFFFAOYSA-N- Molecular formula
- C17H12N2O12S3
- Average molar mass
- 532.5 g/mol
- Monoisotopic mass
- 531.95523734
Names & identifiers
- Preferred name
- 8-[(3-nitrobenzoyl)amino]naphthalene-1,3,5-trisulfonic Acid
- IUPAC
- 8-[(3-nitrobenzoyl)amino]naphthalene-1,3,5-trisulfonic acid
Names & synonyms
8-[(3-nitrobenzoyl)amino]naphthalene-1,3,5-trisulfonic Acid339526-05-51,3,5-Naphthalenetrisulfonic acid, 8-[(3-nitrobenzoyl)amino]-SCHEMBL76134788-(3-nitrobenzamido)naphthalene-1,3,5-trisulfonic acidSCHEMBL30388456DTXSID001190062HSCI1_0002668-[(3-Nitrobenzoyl)amino]-1,3,5-naphthalenetrisulfonic acid
Database identifiers
- CAS
339526-05-5- PubChem CID
- 4464
- DTXSID
DTXSID001190062- Nikkaji
- J744.286F
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 263 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 1,110
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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